Basic information
- Standard SMILES
CCCc1nc2cc(N(Cc3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C- InChIKey
FWOCXNLSSMLVDU-UHFFFAOYSA-N- Molecular formula
- C30H31F4N3O4S
- Average molar mass
- 605.6 g/mol
Names & identifiers
- Preferred name
- {5-[(4-Fluoro-benzenesulfonyl)-(3-trifluoromethyl-benzyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[5-[(4-fluorophenyl)sulfonyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-propylbenzimidazol-1-yl]acetate
Names & synonyms
{5-[(4-Fluoro-benzenesulfonyl)-(3-trifluoromethyl-benzyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl esterSCHEMBL1887547
Database identifiers
- PubChem CID
- 67200869
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
3 records
Compound notes
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